3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide

C24H19NO6 — CID 142727308

IUPAC3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide
SMILESCOc1cc2oc(-c3cccc(C(=O)Nc4ccccc4)c3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C24H19NO6/c1-29-20-13-19-21(22(27)23(20)30-2)17(26)12-18(31-19)14-7-6-8-15(11-14)24(28)25-16-9-4-3-5-10-16/h3-13,27H,1-2H3,(H,25,28)
InChIKeyPPMGTOQUSSBBST-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.44
Rot. Bonds5

About 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide

3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide (PubChem CID 142727308) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide
PubChem CID142727308
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide
SMILESCOc1cc2oc(-c3cccc(C(=O)Nc4ccccc4)c3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C24H19NO6/c1-29-20-13-19-21(22(27)23(20)30-2)17(26)12-18(31-19)14-7-6-8-15(11-14)24(28)25-16-9-4-3-5-10-16/h3-13,27H,1-2H3,(H,25,28)
InChIKeyPPMGTOQUSSBBST-UHFFFAOYSA-N
XLogP4.44
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide?
The IUPAC name of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide (CID 142727308) is 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide?
The canonical SMILES for 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide is COc1cc2oc(-c3cccc(C(=O)Nc4ccccc4)c3)cc(=O)c2c(O)c1OC.
What is the InChIKey of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide?
The InChIKey is PPMGTOQUSSBBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c1-29-20-13-19-21(22(27)23(20)30-2)17(26)12-18(31-19)14-7-6-8-15(11-14)24(28)25-16-9-4-3-5-10-16/h3-13,27H,1-2H3,(H,25,28).
What are the key properties of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide?
3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide has a molecular weight of 417.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 142727308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).